2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid

C9H11BrN2O4S — CID 68632814

IUPAC2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
SMILESO=C(O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O4S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-11-9(13)14/h1-4,11-12H,5-6H2,(H,13,14)
InChIKeyWECKHNRMYFEJIF-UHFFFAOYSA-N
MW323.17 g/mol
LogP1.00
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid

2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid (PubChem CID 68632814) has the molecular formula C9H11BrN2O4S and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
PubChem CID68632814
Molecular FormulaC9H11BrN2O4S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Name2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
SMILESO=C(O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O4S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-11-9(13)14/h1-4,11-12H,5-6H2,(H,13,14)
InChIKeyWECKHNRMYFEJIF-UHFFFAOYSA-N
XLogP1.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
CID 89104122
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155168943
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid (CID 68632814) is 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid is O=C(O)NCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid?
The InChIKey is WECKHNRMYFEJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-11-9(13)14/h1-4,11-12H,5-6H2,(H,13,14).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid?
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid has a molecular weight of 323.17 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid is sourced from PubChem (CID 68632814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).