4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C16H15ClN2O4S — CID 40597380

IUPAC4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H15ClN2O4S/c17-12-8-9-16(15(10-12)19(20)21)24(22,23)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,18H,3,5,7H2/t14-/m0/s1
InChIKeyWSHPVORXSHDACW-AWEZNQCLSA-N
MW366.83 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 40597380) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID40597380
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H15ClN2O4S/c17-12-8-9-16(15(10-12)19(20)21)24(22,23)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,18H,3,5,7H2/t14-/m0/s1
InChIKeyWSHPVORXSHDACW-AWEZNQCLSA-N
XLogP3.60
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
N-(3-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63541987
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 40597380) is 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is WSHPVORXSHDACW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-12-8-9-16(15(10-12)19(20)21)24(22,23)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,18H,3,5,7H2/t14-/m0/s1.
What are the key properties of 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 40597380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).