6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride

C23H25Cl2N3O3S2 — CID 22709602

IUPAC6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=C(c1cc2c(s1)CCNC2)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C23H24ClN3O3S2.ClH/c24-18-3-1-16-12-20(4-2-15(16)11-18)32(29,30)26-19-6-9-27(10-7-19)23(28)22-13-17-14-25-8-5-21(17)31-22;/h1-4,11-13,19,25-26H,5-10,14H2;1H
InChIKeyVBAIIXOBBRDKGS-UHFFFAOYSA-N
MW526.51 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride

6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride (PubChem CID 22709602) has the molecular formula C23H25Cl2N3O3S2 and a molecular weight of 526.51 g/mol. Its IUPAC name is 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride
PubChem CID22709602
Molecular FormulaC23H25Cl2N3O3S2
Molecular Weight526.51 g/mol
Exact Mass525.07
IUPAC Name6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=C(c1cc2c(s1)CCNC2)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C23H24ClN3O3S2.ClH/c24-18-3-1-16-12-20(4-2-15(16)11-18)32(29,30)26-19-6-9-27(10-7-19)23(28)22-13-17-14-25-8-5-21(17)31-22;/h1-4,11-13,19,25-26H,5-10,14H2;1H
InChIKeyVBAIIXOBBRDKGS-UHFFFAOYSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)prop-2-en-1-one;hydrochloride
CID 22710726
2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 22711500
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
6-chloro-N-[(3S)-2-oxo-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide;hydrochloride
CID 69241877
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
CID 22711006
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
N-[1-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565507
N-[1-[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41246977
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 20580878

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride (CID 22709602) is 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride is Cl.O=C(c1cc2c(s1)CCNC2)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride?
The InChIKey is VBAIIXOBBRDKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S2.ClH/c24-18-3-1-16-12-20(4-2-15(16)11-18)32(29,30)26-19-6-9-27(10-7-19)23(28)22-13-17-14-25-8-5-21(17)31-22;/h1-4,11-13,19,25-26H,5-10,14H2;1H.
What are the key properties of 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride?
6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride has a molecular weight of 526.51 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)piperidin-4-yl]naphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 22709602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).