N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide

C19H18N4O3S — CID 113035173

IUPACN-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C19H18N4O3S/c1-14(24)21-15-6-5-7-16(12-15)22-17-10-11-19(20-13-17)23-27(25,26)18-8-3-2-4-9-18/h2-13,22H,1H3,(H,20,23)(H,21,24)
InChIKeyCAANPMJPUWZVIP-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.58
Rot. Bonds6

About N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide

N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide (PubChem CID 113035173) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
PubChem CID113035173
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C19H18N4O3S/c1-14(24)21-15-6-5-7-16(12-15)22-17-10-11-19(20-13-17)23-27(25,26)18-8-3-2-4-9-18/h2-13,22H,1H3,(H,20,23)(H,21,24)
InChIKeyCAANPMJPUWZVIP-UHFFFAOYSA-N
XLogP3.58
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
CID 113036847
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide (CID 113035173) is N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)c1.
What is the InChIKey of N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide?
The InChIKey is CAANPMJPUWZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-14(24)21-15-6-5-7-16(12-15)22-17-10-11-19(20-13-17)23-27(25,26)18-8-3-2-4-9-18/h2-13,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide?
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 113035173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).