N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide

C18H16ClN3O2S — CID 70828971

IUPACN-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C18H16ClN3O2S/c19-15-8-6-14(7-9-15)13-22(16-10-11-18(20)21-12-16)25(23,24)17-4-2-1-3-5-17/h1-12H,13H2,(H2,20,21)
InChIKeyFUMMSDSYVCDQLT-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.71
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide

N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 70828971) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
PubChem CID70828971
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C18H16ClN3O2S/c19-15-8-6-14(7-9-15)13-22(16-10-11-18(20)21-12-16)25(23,24)17-4-2-1-3-5-17/h1-12H,13H2,(H2,20,21)
InChIKeyFUMMSDSYVCDQLT-UHFFFAOYSA-N
XLogP3.71
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
CID 70829040
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide (CID 70828971) is N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide is Nc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is FUMMSDSYVCDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-15-8-6-14(7-9-15)13-22(16-10-11-18(20)21-12-16)25(23,24)17-4-2-1-3-5-17/h1-12H,13H2,(H2,20,21).
What are the key properties of N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 70828971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).