N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide

C10H14ClN3O4S — CID 119988199

IUPACN-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O4S/c1-10(2,12)6-13-19(17,18)9-7(11)4-3-5-8(9)14(15)16/h3-5,13H,6,12H2,1-2H3
InChIKeyNMQXIJQQEZUSHE-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.26
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide

N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide (PubChem CID 119988199) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
PubChem CID119988199
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC NameN-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O4S/c1-10(2,12)6-13-19(17,18)9-7(11)4-3-5-8(9)14(15)16/h3-5,13H,6,12H2,1-2H3
InChIKeyNMQXIJQQEZUSHE-UHFFFAOYSA-N
XLogP1.26
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.26
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-chloro-N-[2-(methylamino)ethyl]-6-nitrobenzenesulfonamide
CID 119973074
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-6-nitrobenzenesulfonamide;hydrochloride
CID 119981303
1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
CID 65015630
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
2-chloro-6-nitro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721321
1-chloro-3-nitro-2-propylsulfonylbenzene
CID 117063576
2-chloro-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-6-nitrobenzenesulfonamide
CID 47955033
2-(bromomethylsulfonyl)-1-chloro-3-nitrobenzene
CID 89156894
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)-6-nitroaniline
CID 79561264
N-(2-amino-2-methylpropyl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119988333
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide (CID 119988199) is N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide is CC(C)(N)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide?
The InChIKey is NMQXIJQQEZUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-10(2,12)6-13-19(17,18)9-7(11)4-3-5-8(9)14(15)16/h3-5,13H,6,12H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide?
N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide is sourced from PubChem (CID 119988199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).