N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide

C14H13Cl3N4O3S — CID 1089455

IUPACN-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H13Cl3N4O3S/c15-14(16,17)13(21-12(22)9-2-1-7-19-8-9)20-10-3-5-11(6-4-10)25(18,23)24/h1-8,13,20H,(H,21,22)(H2,18,23,24)/t13-/m0/s1
InChIKeyMTFNWGJDFRUAPN-ZDUSSCGKSA-N
MW423.71 g/mol
LogP2.27
Rot. Bonds5

About N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide

N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 1089455) has the molecular formula C14H13Cl3N4O3S and a molecular weight of 423.71 g/mol. Its IUPAC name is N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide
PubChem CID1089455
Molecular FormulaC14H13Cl3N4O3S
Molecular Weight423.71 g/mol
Exact Mass421.98
IUPAC NameN-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H13Cl3N4O3S/c15-14(16,17)13(21-12(22)9-2-1-7-19-8-9)20-10-3-5-11(6-4-10)25(18,23)24/h1-8,13,20H,(H,21,22)(H2,18,23,24)/t13-/m0/s1
InChIKeyMTFNWGJDFRUAPN-ZDUSSCGKSA-N
XLogP2.27
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.71
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2,2,2-tribromo-1-(4-sulfamoylanilino)ethyl]benzamide
CID 1380220
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
N-[2,2,2-trichloro-1-[3-chloro-4-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 3127857
2-methyl-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]propanamide
CID 3092663
2-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
CID 7060127
2-nitro-N-[(1R)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
CID 2316941
2-bromo-N-[(1R)-2,2,2-trichloro-1-(pyridin-3-ylamino)ethyl]benzamide
CID 34255993
N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]butanamide
CID 5101129
N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
CID 123488159
3-methyl-N-[(1S)-2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide
CID 2252592
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N-[(1S)-2,2,2-trichloro-1-phenylsulfanylethyl]pyridine-3-carboxamide
CID 1130366

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide (CID 1089455) is N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is MTFNWGJDFRUAPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13Cl3N4O3S/c15-14(16,17)13(21-12(22)9-2-1-7-19-8-9)20-10-3-5-11(6-4-10)25(18,23)24/h1-8,13,20H,(H,21,22)(H2,18,23,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide?
N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 423.71 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 1089455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).