[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C17H17ClN2O4S — CID 129111795

IUPAC[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C17H17ClN2O4S/c18-13-3-7-16(8-4-13)25(23,24)20-15-6-2-11-9-14(19-17(21)22)5-1-12(11)10-15/h2-4,6-8,10,14,19-20H,1,5,9H2,(H,21,22)
InChIKeyQHBBSMXZQDMHGH-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.27
Rot. Bonds4

About [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 129111795) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID129111795
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C17H17ClN2O4S/c18-13-3-7-16(8-4-13)25(23,24)20-15-6-2-11-9-14(19-17(21)22)5-1-12(11)10-15/h2-4,6-8,10,14,19-20H,1,5,9H2,(H,21,22)
InChIKeyQHBBSMXZQDMHGH-UHFFFAOYSA-N
XLogP3.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 11596180
[6-[(5-chloro-2-pyridinyl)methylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111825
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chlorobenzenesulfonamide
CID 12811353
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780
4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 68914747
[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 142689469
N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 131732535
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 129111795) is [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)NC1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2C1.
What is the InChIKey of [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is QHBBSMXZQDMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-13-3-7-16(8-4-13)25(23,24)20-15-6-2-11-9-14(19-17(21)22)5-1-12(11)10-15/h2-4,6-8,10,14,19-20H,1,5,9H2,(H,21,22).
What are the key properties of [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 380.85 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 129111795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).