4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide

C10H13BrN2O2S — CID 43255757

IUPAC4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CC2)c(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c11-9-5-8(12)3-4-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyZPSAOVAFYRQFEV-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.72
Rot. Bonds4

About 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide

4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 43255757) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID43255757
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CC2)c(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c11-9-5-8(12)3-4-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyZPSAOVAFYRQFEV-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-amino-2-bromo-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54908255
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
CID 65206688
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide (CID 43255757) is 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC2CC2)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is ZPSAOVAFYRQFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-9-5-8(12)3-4-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2.
What are the key properties of 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide?
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 43255757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).