N-[(4-aminophenyl)sulfonylmethyl]carbamate

C8H9N2O4S- — CID 23617981

IUPACN-[(4-aminophenyl)sulfonylmethyl]carbamate
SMILESNc1ccc(S(=O)(=O)CNC(=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)5-10-8(11)12/h1-4,10H,5,9H2,(H,11,12)/p-1
InChIKeySHPGJKQLNTVIEC-UHFFFAOYSA-M
MW229.24 g/mol
LogP-1.07
Rot. Bonds3

About N-[(4-aminophenyl)sulfonylmethyl]carbamate

N-[(4-aminophenyl)sulfonylmethyl]carbamate (PubChem CID 23617981) has the molecular formula C8H9N2O4S- and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(4-aminophenyl)sulfonylmethyl]carbamate.

Molecular Properties

Compound NameN-[(4-aminophenyl)sulfonylmethyl]carbamate
PubChem CID23617981
Molecular FormulaC8H9N2O4S-
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC NameN-[(4-aminophenyl)sulfonylmethyl]carbamate
SMILESNc1ccc(S(=O)(=O)CNC(=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)5-10-8(11)12/h1-4,10H,5,9H2,(H,11,12)/p-1
InChIKeySHPGJKQLNTVIEC-UHFFFAOYSA-M
XLogP-1.07
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
CID 157028404
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
4-(chloromethylsulfonyl)aniline
CID 12707626
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 61368216
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
CID 154194116
(4-methylphenyl)sulfonylmethylthiourea
CID 15864848
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
(E)-5-(4-aminophenyl)sulfonyl-3-methylpent-3-en-2-one
CID 12781101

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)sulfonylmethyl]carbamate?
The IUPAC name of N-[(4-aminophenyl)sulfonylmethyl]carbamate (CID 23617981) is N-[(4-aminophenyl)sulfonylmethyl]carbamate.
What is the SMILES notation for N-[(4-aminophenyl)sulfonylmethyl]carbamate?
The canonical SMILES for N-[(4-aminophenyl)sulfonylmethyl]carbamate is Nc1ccc(S(=O)(=O)CNC(=O)[O-])cc1.
What is the InChIKey of N-[(4-aminophenyl)sulfonylmethyl]carbamate?
The InChIKey is SHPGJKQLNTVIEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)5-10-8(11)12/h1-4,10H,5,9H2,(H,11,12)/p-1.
What are the key properties of N-[(4-aminophenyl)sulfonylmethyl]carbamate?
N-[(4-aminophenyl)sulfonylmethyl]carbamate has a molecular weight of 229.24 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)sulfonylmethyl]carbamate is sourced from PubChem (CID 23617981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).