5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide

C22H25ClN2O2S3 — CID 23108662

IUPAC5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1ccsc1CN1CCC(c2cccc(CNS(=O)(=O)c3ccc(Cl)s3)c2)CC1
InChIInChI=1S/C22H25ClN2O2S3/c1-16-9-12-28-20(16)15-25-10-7-18(8-11-25)19-4-2-3-17(13-19)14-24-30(26,27)22-6-5-21(23)29-22/h2-6,9,12-13,18,24H,7-8,10-11,14-15H2,1H3
InChIKeyXYOOUJSOKVOMGR-UHFFFAOYSA-N
MW481.11 g/mol
LogP5.63
Rot. Bonds7

About 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 23108662) has the molecular formula C22H25ClN2O2S3 and a molecular weight of 481.11 g/mol. Its IUPAC name is 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide
PubChem CID23108662
Molecular FormulaC22H25ClN2O2S3
Molecular Weight481.11 g/mol
Exact Mass480.08
IUPAC Name5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1ccsc1CN1CCC(c2cccc(CNS(=O)(=O)c3ccc(Cl)s3)c2)CC1
InChIInChI=1S/C22H25ClN2O2S3/c1-16-9-12-28-20(16)15-25-10-7-18(8-11-25)19-4-2-3-17(13-19)14-24-30(26,27)22-6-5-21(23)29-22/h2-6,9,12-13,18,24H,7-8,10-11,14-15H2,1H3
InChIKeyXYOOUJSOKVOMGR-UHFFFAOYSA-N
XLogP5.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.11
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
CID 60568052
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
CID 75467486
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978996
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
5-chloro-N-[[1-(cyclopropylmethyl)-4-methyl-2-oxo-4H-3,1-benzoxazin-6-yl]methyl]thiophene-2-sulfonamide
CID 155182715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide (CID 23108662) is 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide is Cc1ccsc1CN1CCC(c2cccc(CNS(=O)(=O)c3ccc(Cl)s3)c2)CC1.
What is the InChIKey of 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is XYOOUJSOKVOMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2S3/c1-16-9-12-28-20(16)15-25-10-7-18(8-11-25)19-4-2-3-17(13-19)14-24-30(26,27)22-6-5-21(23)29-22/h2-6,9,12-13,18,24H,7-8,10-11,14-15H2,1H3.
What are the key properties of 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 481.11 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23108662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).