1-bromo-3-(cyclopropylsulfonylmethyl)benzene

C10H11BrO2S — CID 163343010

IUPAC1-bromo-3-(cyclopropylsulfonylmethyl)benzene
SMILESO=S(=O)(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C10H11BrO2S/c11-9-3-1-2-8(6-9)7-14(12,13)10-4-5-10/h1-3,6,10H,4-5,7H2
InChIKeyRJYFSWLFHRMJDN-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.53
Rot. Bonds3

About 1-bromo-3-(cyclopropylsulfonylmethyl)benzene

1-bromo-3-(cyclopropylsulfonylmethyl)benzene (PubChem CID 163343010) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-bromo-3-(cyclopropylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(cyclopropylsulfonylmethyl)benzene
PubChem CID163343010
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name1-bromo-3-(cyclopropylsulfonylmethyl)benzene
SMILESO=S(=O)(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C10H11BrO2S/c11-9-3-1-2-8(6-9)7-14(12,13)10-4-5-10/h1-3,6,10H,4-5,7H2
InChIKeyRJYFSWLFHRMJDN-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-3-(cyclopropylsulfonylmethyl)benzene 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

4-bromo-2-[(3-bromophenyl)methylsulfonyl]aniline
CID 81207588
2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
3-[(3-bromophenyl)methylsulfonyl]-2-methylaniline
CID 81190401
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
CID 167386346
N-[(3-bromophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62086018
[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46772551
propyl (3-bromophenyl)methanesulfonate
CID 57287816
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
azepan-1-yl-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 92673835
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[(3-bromophenyl)methylsulfonyl]ethanone
CID 119411771

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclopropylsulfonylmethyl)benzene?
The IUPAC name of 1-bromo-3-(cyclopropylsulfonylmethyl)benzene (CID 163343010) is 1-bromo-3-(cyclopropylsulfonylmethyl)benzene.
What is the SMILES notation for 1-bromo-3-(cyclopropylsulfonylmethyl)benzene?
The canonical SMILES for 1-bromo-3-(cyclopropylsulfonylmethyl)benzene is O=S(=O)(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of 1-bromo-3-(cyclopropylsulfonylmethyl)benzene?
The InChIKey is RJYFSWLFHRMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-9-3-1-2-8(6-9)7-14(12,13)10-4-5-10/h1-3,6,10H,4-5,7H2.
What are the key properties of 1-bromo-3-(cyclopropylsulfonylmethyl)benzene?
1-bromo-3-(cyclopropylsulfonylmethyl)benzene has a molecular weight of 275.17 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(cyclopropylsulfonylmethyl)benzene is sourced from PubChem (CID 163343010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).