3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide

C14H23ClN2O3S — CID 106053865

IUPAC3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(Cl)cc(CN)c1OC
InChIInChI=1S/C14H23ClN2O3S/c1-5-9(2)10(3)17-21(18,19)13-7-12(15)6-11(8-16)14(13)20-4/h6-7,9-10,17H,5,8,16H2,1-4H3
InChIKeyMNVQSKUMKVUWIG-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.52
Rot. Bonds7

About 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106053865) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID106053865
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(Cl)cc(CN)c1OC
InChIInChI=1S/C14H23ClN2O3S/c1-5-9(2)10(3)17-21(18,19)13-7-12(15)6-11(8-16)14(13)20-4/h6-7,9-10,17H,5,8,16H2,1-4H3
InChIKeyMNVQSKUMKVUWIG-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053720
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551861
3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053877
3-(aminomethyl)-2,4-difluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053770
3-(aminomethyl)-5-chloro-N-(1H-imidazol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 106069749
3-(aminomethyl)-5-chloro-2-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052686
3-(aminomethyl)-2,5-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054214
3-(aminomethyl)-5-chloro-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068781
3-(aminomethyl)-5-chloro-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 106046589
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102701324

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 106053865) is 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(Cl)cc(CN)c1OC.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is MNVQSKUMKVUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-5-9(2)10(3)17-21(18,19)13-7-12(15)6-11(8-16)14(13)20-4/h6-7,9-10,17H,5,8,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).