2-amino-2-[3-(methanesulfonamido)phenyl]acetamide

C9H13N3O3S — CID 13127822

IUPAC2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(C(N)C(N)=O)c1
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)12-7-4-2-3-6(5-7)8(10)9(11)13/h2-5,8,12H,10H2,1H3,(H2,11,13)
InChIKeyCBSJGBREWWQJHD-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.46
Rot. Bonds4

About 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide

2-amino-2-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 13127822) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID13127822
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(C(N)C(N)=O)c1
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)12-7-4-2-3-6(5-7)8(10)9(11)13/h2-5,8,12H,10H2,1H3,(H2,11,13)
InChIKeyCBSJGBREWWQJHD-UHFFFAOYSA-N
XLogP-0.46
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
CID 21128674
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
CID 59506232
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide (CID 13127822) is 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(C(N)C(N)=O)c1.
What is the InChIKey of 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is CBSJGBREWWQJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-16(14,15)12-7-4-2-3-6(5-7)8(10)9(11)13/h2-5,8,12H,10H2,1H3,(H2,11,13).
What are the key properties of 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide?
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 243.29 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 13127822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).