4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide

C16H24N4O5S — CID 174673473

IUPAC4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCC(C3CNCCO3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H24N4O5S/c17-26(23,24)13-5-6-14(15(9-13)20(21)22)19-12-3-1-11(2-4-12)16-10-18-7-8-25-16/h5-6,9,11-12,16,18-19H,1-4,7-8,10H2,(H2,17,23,24)
InChIKeyXGOQZPGIAZSYEV-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.20
Rot. Bonds5

About 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide

4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide (PubChem CID 174673473) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide
PubChem CID174673473
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCC(C3CNCCO3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H24N4O5S/c17-26(23,24)13-5-6-14(15(9-13)20(21)22)19-12-3-1-11(2-4-12)16-10-18-7-8-25-16/h5-6,9,11-12,16,18-19H,1-4,7-8,10H2,(H2,17,23,24)
InChIKeyXGOQZPGIAZSYEV-UHFFFAOYSA-N
XLogP1.20
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
3-nitro-4-[[3-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
CID 55516517
4-(azetidin-3-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 66186796
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-3-ylethyl)propanamide
CID 119559099
4-(cyclopropylamino)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 9281730
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828
4-[[(3S)-1-ethylpiperidin-3-yl]amino]-3-nitrobenzenesulfonamide
CID 136585433
N-(4-iodo-2-nitrophenyl)pyrrolidin-3-amine
CID 66081891
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-(2-nitro-4-sulfamoylanilino)piperidine-1-carboxylate
CID 67227168
4-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitrobenzenesulfonamide
CID 11938968
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
tert-butyl 3-(2-nitro-4-sulfamoylanilino)azetidine-1-carboxylate
CID 67126474

Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide (CID 174673473) is 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCC(C3CNCCO3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide?
The InChIKey is XGOQZPGIAZSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c17-26(23,24)13-5-6-14(15(9-13)20(21)22)19-12-3-1-11(2-4-12)16-10-18-7-8-25-16/h5-6,9,11-12,16,18-19H,1-4,7-8,10H2,(H2,17,23,24).
What are the key properties of 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide?
4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-2-ylcyclohexyl)amino]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 174673473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).