3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride

C14H17Cl2NO3S — CID 63660756

IUPAC3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)N(CC1CC1)C(=O)c1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-9(2)17(8-10-6-7-10)14(18)13-11(15)4-3-5-12(13)21(16,19)20/h3-5,9-10H,6-8H2,1-2H3
InChIKeyAMILIDXVAYNQOF-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.53
Rot. Bonds5

About 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride

3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride (PubChem CID 63660756) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
PubChem CID63660756
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)N(CC1CC1)C(=O)c1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-9(2)17(8-10-6-7-10)14(18)13-11(15)4-3-5-12(13)21(16,19)20/h3-5,9-10H,6-8H2,1-2H3
InChIKeyAMILIDXVAYNQOF-UHFFFAOYSA-N
XLogP3.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 63864539
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonyl chloride
CID 115559847
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride (CID 63660756) is 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride is CC(C)N(CC1CC1)C(=O)c1c(Cl)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is AMILIDXVAYNQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-9(2)17(8-10-6-7-10)14(18)13-11(15)4-3-5-12(13)21(16,19)20/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 63660756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).