tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate

C14H20ClN3O5S — CID 10667340

IUPACtert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O5S/c1-14(2,3)23-13(20)17-7-6-12(19)18-11-5-4-9(8-10(11)15)24(16,21)22/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyKVRUUSRGTRDDCU-UHFFFAOYSA-N
MW377.85 g/mol
LogP1.84
Rot. Bonds5

About tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate

tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate (PubChem CID 10667340) has the molecular formula C14H20ClN3O5S and a molecular weight of 377.85 g/mol. Its IUPAC name is tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
PubChem CID10667340
Molecular FormulaC14H20ClN3O5S
Molecular Weight377.85 g/mol
Exact Mass377.08
IUPAC Nametert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O5S/c1-14(2,3)23-13(20)17-7-6-12(19)18-11-5-4-9(8-10(11)15)24(16,21)22/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyKVRUUSRGTRDDCU-UHFFFAOYSA-N
XLogP1.84
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
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tert-butyl N-[2-(2-iodo-4-sulfamoylanilino)-2-oxoethyl]carbamate
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tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
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tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
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tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
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tert-butyl N-[3-(4-amino-3,5-dichloroanilino)-3-oxopropyl]carbamate
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ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate (CID 10667340) is tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate?
The InChIKey is KVRUUSRGTRDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O5S/c1-14(2,3)23-13(20)17-7-6-12(19)18-11-5-4-9(8-10(11)15)24(16,21)22/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22).
What are the key properties of tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate has a molecular weight of 377.85 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate is sourced from PubChem (CID 10667340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).