3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C14H21ClN2O2S — CID 82885355

IUPAC3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C14H21ClN2O2S/c1-9-4-12(9)8-17(3)20(18,19)14-6-13(15)5-11(7-16)10(14)2/h5-6,9,12H,4,7-8,16H2,1-3H3
InChIKeySPSQDOMEUYEQFU-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.38
Rot. Bonds5

About 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 82885355) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID82885355
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C14H21ClN2O2S/c1-9-4-12(9)8-17(3)20(18,19)14-6-13(15)5-11(7-16)10(14)2/h5-6,9,12H,4,7-8,16H2,1-3H3
InChIKeySPSQDOMEUYEQFU-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991
3-bromo-5-(chloromethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81488130
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-(aminomethyl)-N-tert-butyl-5-chloro-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 82879990
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 82885435
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
[5-chloro-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2-methylphenyl]methanamine
CID 82879638
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 82885355) is 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)CC1CC1C.
What is the InChIKey of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is SPSQDOMEUYEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-9-4-12(9)8-17(3)20(18,19)14-6-13(15)5-11(7-16)10(14)2/h5-6,9,12H,4,7-8,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 82885355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).