2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide

C19H18N4O3S — CID 23206275

IUPAC2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
SMILESO=C(CNc1cccc(NS(=O)(=O)c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C19H18N4O3S/c24-19(22-15-9-11-20-12-10-15)14-21-16-5-4-6-17(13-16)23-27(25,26)18-7-2-1-3-8-18/h1-13,21,23H,14H2,(H,20,22,24)
InChIKeyLDTCKWKGPGYVRY-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.93
Rot. Bonds7

About 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide

2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide (PubChem CID 23206275) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
PubChem CID23206275
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
SMILESO=C(CNc1cccc(NS(=O)(=O)c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C19H18N4O3S/c24-19(22-15-9-11-20-12-10-15)14-21-16-5-4-6-17(13-16)23-27(25,26)18-7-2-1-3-8-18/h1-13,21,23H,14H2,(H,20,22,24)
InChIKeyLDTCKWKGPGYVRY-UHFFFAOYSA-N
XLogP2.93
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
CID 55721517
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516
N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
CID 54519091
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide (CID 23206275) is 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide is O=C(CNc1cccc(NS(=O)(=O)c2ccccc2)c1)Nc1ccncc1.
What is the InChIKey of 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide?
The InChIKey is LDTCKWKGPGYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(22-15-9-11-20-12-10-15)14-21-16-5-4-6-17(13-16)23-27(25,26)18-7-2-1-3-8-18/h1-13,21,23H,14H2,(H,20,22,24).
What are the key properties of 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide?
2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide has a molecular weight of 382.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 23206275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).