2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C14H22ClN3O4S — CID 119976314

IUPAC2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-3-8-16(13-6-7-15-10-13)22(20,21)14-9-12(17(18)19)5-4-11(14)2;/h4-5,9,13,15H,3,6-8,10H2,1-2H3;1H
InChIKeySEZXBGIGIABAQV-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.09
Rot. Bonds6

About 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119976314) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119976314
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-3-8-16(13-6-7-15-10-13)22(20,21)14-9-12(17(18)19)5-4-11(14)2;/h4-5,9,13,15H,3,6-8,10H2,1-2H3;1H
InChIKeySEZXBGIGIABAQV-UHFFFAOYSA-N
XLogP2.09
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
3-fluoro-4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709369
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119976314) is 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C.Cl.
What is the InChIKey of 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SEZXBGIGIABAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-3-8-16(13-6-7-15-10-13)22(20,21)14-9-12(17(18)19)5-4-11(14)2;/h4-5,9,13,15H,3,6-8,10H2,1-2H3;1H.
What are the key properties of 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).