N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide

C10H12BrNO2S — CID 70699814

IUPACN-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H12BrNO2S/c1-15(13,14)12-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyVVZIDWYAQQBIAN-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide

N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide (PubChem CID 70699814) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide
PubChem CID70699814
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H12BrNO2S/c1-15(13,14)12-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyVVZIDWYAQQBIAN-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide (CID 70699814) is N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide is CS(=O)(=O)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide?
The InChIKey is VVZIDWYAQQBIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-15(13,14)12-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide?
N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 70699814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).