3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C12H16BrClN2O2S — CID 63879925

IUPAC3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-7-3-8(7)6-16(2)19(17,18)11-5-9(14)4-10(15)12(11)13/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeyPUILVVPNJAYRRF-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63879925) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63879925
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H16BrClN2O2S/c1-7-3-8(7)6-16(2)19(17,18)11-5-9(14)4-10(15)12(11)13/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeyPUILVVPNJAYRRF-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82885355
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
3-amino-2-bromo-5-chloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
CID 62957583
3-bromo-5-(chloromethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81488130
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-amino-2-bromo-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylbenzenesulfonamide
CID 62956908
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63879925) is 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CC1CC1CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is PUILVVPNJAYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-7-3-8(7)6-16(2)19(17,18)11-5-9(14)4-10(15)12(11)13/h4-5,7-8H,3,6,15H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63879925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).