3-(cyclopropylamino)-4-methoxybenzenesulfonamide

C10H14N2O3S — CID 103439129

IUPAC3-(cyclopropylamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CC1
InChIInChI=1S/C10H14N2O3S/c1-15-10-5-4-8(16(11,13)14)6-9(10)12-7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,11,13,14)
InChIKeyVCYYVSFGFJWUGX-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.92
Rot. Bonds4

About 3-(cyclopropylamino)-4-methoxybenzenesulfonamide

3-(cyclopropylamino)-4-methoxybenzenesulfonamide (PubChem CID 103439129) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-methoxybenzenesulfonamide
PubChem CID103439129
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(cyclopropylamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CC1
InChIInChI=1S/C10H14N2O3S/c1-15-10-5-4-8(16(11,13)14)6-9(10)12-7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,11,13,14)
InChIKeyVCYYVSFGFJWUGX-UHFFFAOYSA-N
XLogP0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
CID 65080223
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942009
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
CID 118692692
CID 118692692
3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
CID 114812448
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide
CID 64552219

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(cyclopropylamino)-4-methoxybenzenesulfonamide (CID 103439129) is 3-(cyclopropylamino)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-4-methoxybenzenesulfonamide?
The InChIKey is VCYYVSFGFJWUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-10-5-4-8(16(11,13)14)6-9(10)12-7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,11,13,14).
What are the key properties of 3-(cyclopropylamino)-4-methoxybenzenesulfonamide?
3-(cyclopropylamino)-4-methoxybenzenesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103439129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).