5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide

C17H16ClN3O2S2 — CID 113011734

IUPAC5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)c1
InChIInChI=1S/C17H16ClN3O2S2/c1-12-3-2-4-13(9-12)10-19-16-7-5-14(11-20-16)21-25(22,23)17-8-6-15(18)24-17/h2-9,11,21H,10H2,1H3,(H,19,20)
InChIKeyPTSCBBBLVLKUFF-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.52
Rot. Bonds6

About 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113011734) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113011734
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)c1
InChIInChI=1S/C17H16ClN3O2S2/c1-12-3-2-4-13(9-12)10-19-16-7-5-14(11-20-16)21-25(22,23)17-8-6-15(18)24-17/h2-9,11,21H,10H2,1H3,(H,19,20)
InChIKeyPTSCBBBLVLKUFF-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide (CID 113011734) is 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide is Cc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)c1.
What is the InChIKey of 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is PTSCBBBLVLKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-12-3-2-4-13(9-12)10-19-16-7-5-14(11-20-16)21-25(22,23)17-8-6-15(18)24-17/h2-9,11,21H,10H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 393.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113011734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).