N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide

C17H20ClN3O3S — CID 174588762

IUPACN-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide
SMILESCCCCN(c1ccc(Cl)cc1N(N)C=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20ClN3O3S/c1-2-3-11-21(25(23,24)15-7-5-4-6-8-15)16-10-9-14(18)12-17(16)20(19)13-22/h4-10,12-13H,2-3,11,19H2,1H3
InChIKeyZWXMYSRAYKMNJW-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.17
Rot. Bonds8

About N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide

N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide (PubChem CID 174588762) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide.

Molecular Properties

Compound NameN-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide
PubChem CID174588762
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide
SMILESCCCCN(c1ccc(Cl)cc1N(N)C=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20ClN3O3S/c1-2-3-11-21(25(23,24)15-7-5-4-6-8-15)16-10-9-14(18)12-17(16)20(19)13-22/h4-10,12-13H,2-3,11,19H2,1H3
InChIKeyZWXMYSRAYKMNJW-UHFFFAOYSA-N
XLogP3.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 174603446
N-butyl-N-[4-chloro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 174618681
N-butyl-N-[4-chloro-2-(6-methylsulfonylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 174492130
4-[2-[2-[butyl-(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 11641377
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 174603455
N-[(4R)-4-bromopentyl]-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 70088605
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
4-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)butanoic acid
CID 50890002
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide?
The IUPAC name of N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide (CID 174588762) is N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide.
What is the SMILES notation for N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide?
The canonical SMILES for N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide is CCCCN(c1ccc(Cl)cc1N(N)C=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide?
The InChIKey is ZWXMYSRAYKMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-2-3-11-21(25(23,24)15-7-5-4-6-8-15)16-10-9-14(18)12-17(16)20(19)13-22/h4-10,12-13H,2-3,11,19H2,1H3.
What are the key properties of N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide?
N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide has a molecular weight of 381.89 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide is sourced from PubChem (CID 174588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).